REMARK  Name = BDB055569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.866  -2.625   0.038  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        0.962  -1.852   0.313  0.00  0.00    +0.310 C 
ATOM      3  N   LIG    1        0.901  -0.987   1.357  0.00  0.00    -0.223 N 
ATOM      4  C   LIG    1       -0.258  -0.259   1.302  0.00  0.00    +0.256 C 
ATOM      5  O   LIG    1       -0.573   0.615   2.105  0.00  0.00    -0.272 OA
ATOM      6  C   LIG    1       -1.082  -0.710   0.055  0.00  0.00    +0.164 C 
ATOM      7  N   LIG    1       -0.185  -1.743  -0.426  0.00  0.00    -0.278 N 
ATOM      8  H   LIG    1       -0.270  -2.206  -1.318  0.00  0.00    +0.152 HD
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.436  -1.275   0.516  0.00  0.00    -0.011 A 
ATOM     10  C   LIG    1       -3.426  -0.399   1.004  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -4.666  -0.878   1.432  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.941  -2.241   1.384  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -3.975  -3.126   0.911  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -2.733  -2.650   0.483  0.00  0.00    +0.006 A 
ENDBRANCH   6   9
BRANCH   6  15
ATOM     15  C   LIG    1       -1.215   0.351  -1.048  0.00  0.00    -0.011 A 
ATOM     16  C   LIG    1       -0.622   1.621  -0.959  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1       -0.746   2.549  -1.997  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -1.464   2.226  -3.145  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -2.059   0.974  -3.258  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -1.934   0.045  -2.223  0.00  0.00    +0.006 A 
ENDBRANCH   6  15
BRANCH   3  21
ATOM     21  C   LIG    1        1.943  -0.822   2.352  0.00  0.00    +0.122 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.648   0.541   2.289  0.00  0.00    +0.054 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.225   0.921   0.945  0.00  0.00    -0.046 A 
ATOM     24  C   LIG    1        4.021   0.035   0.208  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        4.543   0.411  -1.031  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.289   1.682  -1.542  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.517   2.581  -0.810  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        2.993   2.205   0.427  0.00  0.00    +0.004 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 5